2-amino-N-(cyanomethyl)-2-phenylacetamide

C10H11N3O — CID 61253687

IUPAC2-amino-N-(cyanomethyl)-2-phenylacetamide
SMILESN#CCNC(=O)C(N)c1ccccc1
InChIInChI=1S/C10H11N3O/c11-6-7-13-10(14)9(12)8-4-2-1-3-5-8/h1-5,9H,7,12H2,(H,13,14)
InChIKeyGTLYYIAWFABXLI-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.33
Rot. Bonds3

About 2-amino-N-(cyanomethyl)-2-phenylacetamide

2-amino-N-(cyanomethyl)-2-phenylacetamide (PubChem CID 61253687) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-amino-N-(cyanomethyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-(cyanomethyl)-2-phenylacetamide
PubChem CID61253687
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-amino-N-(cyanomethyl)-2-phenylacetamide
SMILESN#CCNC(=O)C(N)c1ccccc1
InChIInChI=1S/C10H11N3O/c11-6-7-13-10(14)9(12)8-4-2-1-3-5-8/h1-5,9H,7,12H2,(H,13,14)
InChIKeyGTLYYIAWFABXLI-UHFFFAOYSA-N
XLogP0.33
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-ethyl-2-phenylacetamide
CID 22262703
N-(cyanomethyl)-2-hydroxy-2-phenylacetamide
CID 103687126
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
CID 93083385
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550
(2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide
CID 104897926
2-amino-N-(2,2-diethylbutyl)-2-phenylacetamide
CID 119345468
2-[[(2S)-2-amino-2-phenylacetyl]amino]ethyl carbamate
CID 104898331
4-[[(2R)-2-amino-2-phenylacetyl]amino]-2-hydroxybutanoic acid
CID 114006849
2-amino-N-[2-(dimethylamino)ethyl]-2-phenylacetamide;hydrochloride
CID 120994237
2-amino-N-(5-hydroxypentyl)-2-phenylacetamide
CID 69266542
2-amino-N-(2-ethylsulfonylethyl)-2-phenylacetamide
CID 113264121
(2S)-4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-hydroxybutanoic acid
CID 107836300

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyanomethyl)-2-phenylacetamide?
The IUPAC name of 2-amino-N-(cyanomethyl)-2-phenylacetamide (CID 61253687) is 2-amino-N-(cyanomethyl)-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-(cyanomethyl)-2-phenylacetamide?
The canonical SMILES for 2-amino-N-(cyanomethyl)-2-phenylacetamide is N#CCNC(=O)C(N)c1ccccc1.
What is the InChIKey of 2-amino-N-(cyanomethyl)-2-phenylacetamide?
The InChIKey is GTLYYIAWFABXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-6-7-13-10(14)9(12)8-4-2-1-3-5-8/h1-5,9H,7,12H2,(H,13,14).
What are the key properties of 2-amino-N-(cyanomethyl)-2-phenylacetamide?
2-amino-N-(cyanomethyl)-2-phenylacetamide has a molecular weight of 189.22 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyanomethyl)-2-phenylacetamide is sourced from PubChem (CID 61253687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).